Geometry & MOs

Info

ID:	38854
PubChem CID:	8138057
Reduced:	N3O4H13C15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-60.38
Dipole, Da:	1.82
IP(EA), eV:	-8.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(azepan-1-ylsulfonyl)benzoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations